%chk=000063021.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063021

0 1
 O   -3.158100      0.2034000       1.163600    
 O    6.633700      0.1257000       1.294800    
 O   -5.289800     -0.6780000       1.037700    
 C   -1.575500      0.4575000     -0.7130000    
 C  -0.8118000     -0.8202000     -0.2874000    
 C   0.6629000     -0.8005000     -0.7001000    
 C    1.357000      0.4197000     -2.7000001E-02
 C   -3.016500      8.1000000E-02 -0.2529000    
 C  -0.9185000       1.646500      8.2000000E-03
 C   -1.702400      -1.952600     -0.7901000    
 C   0.5894000       1.740300     -0.2889000    
 C    2.858500      0.5085000     -0.4393000    
 C   -3.142200      -1.413500     -0.6460000    
 C    1.387500      -2.093400     -0.3041000    
 C   -1.538400      0.7031000      -2.249900    
 C    2.847200      -2.049100     -0.7428000    
 C    3.564600     -0.8250000     -0.2295000    
 C    3.559500       1.653400      0.3208000    
 C   -4.074900      0.8946000     -0.8656000    
 C    5.072600       1.586800      0.2116000    
 C    4.775700     -0.9496000      0.3365000    
 C    5.568500      0.2489000      0.6946000    
 C   -4.351900     -0.2165000       1.673700    
 C   -4.940200       1.559400      -1.365800    
 C   -4.357100     -3.0400001E-02   3.160900    
 H  -0.8283000     -0.8866000      0.8130000    
 H   0.7415000     -0.7050000      -1.789700    
 H    1.323000      0.2523000       1.061100    
 H   -1.042700       1.552500       1.094200    
 H   -1.407000       2.585700     -0.2777000    
 H   -1.561600      -2.867700     -0.2052000    
 H   -1.490100      -2.195400      -1.837400    
 H   0.7464000       2.059300      -1.325700    
 H   0.9971000       2.539400      0.3409000    
 H    2.910100      0.7316000      -1.514400    
 H   -3.660300      -1.544200      -1.604400    
 H   -3.656500      -2.044200      8.3899997E-02
 H   0.9060000      -2.958600     -0.7742000    
 H    1.328700      -2.244800      0.7814000    
 H  -0.5226000      0.7843000      -2.644600    
 H   -2.032700     -9.3800001E-02  -2.814500    
 H   -2.039900       1.643700      -2.505000    
 H    2.895100      -2.042100      -1.839400    
 H    3.343200      -2.970600     -0.4146000    
 H    3.279900       1.618000       1.382500    
 H    3.224900       2.622900     -6.5499999E-02
 H    5.517900       2.372400      0.8315000    
 H    5.405200       1.731700     -0.8218000    
 H    5.247200      -1.914800      0.4858000    
 H   -5.707800       2.149100      -1.809600    
 H   -4.230900       1.028100       3.402100    
 H   -3.559200     -0.6262000       3.611200    
 H   -5.315400     -0.3684000       3.565300    


%chk=000063021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063021

0 1
O -3.087311 0.120862 1.116853
O 6.728904 0.182979 1.353329
O -5.285484 -0.680774 1.307380
C -1.608655 0.425632 -0.813973
C -0.861960 -0.873002 -0.377329
C 0.638388 -0.845218 -0.725803
C 1.296865 0.388551 -0.030780
C -3.084885 0.041660 -0.405269
C -0.986277 1.636523 -0.083992
C -1.747478 -2.019091 -0.928503
C 0.542896 1.711737 -0.347666
C 2.823883 0.504800 -0.371296
C -3.206966 -1.459468 -0.854060
C 1.362654 -2.139242 -0.297399
C -1.584156 0.654764 -2.350571
C 2.863691 -2.077044 -0.666895
C 3.550454 -0.824606 -0.153431
C 3.493846 1.656971 0.424374
C -4.119370 0.941207 -0.923611
C 5.033797 1.635067 0.336909
C 4.789704 -0.896972 0.431981
C 5.601499 0.286846 0.778833
C -4.242581 -0.234072 1.830001
C -4.951407 1.729642 -1.371930
C -4.025138 0.026864 3.307059
H -0.934808 -0.907368 0.731012
H 0.756862 -0.740532 -1.827121
H 1.219102 0.210658 1.066510
H -1.167198 1.534914 1.001595
H -1.466537 2.579757 -0.409987
H -1.638734 -2.948565 -0.343362
H -1.471599 -2.255589 -1.973861
H 0.736545 1.993604 -1.403132
H 0.955790 2.530175 0.270439
H 2.890925 0.738819 -1.461004
H -3.718114 -1.507099 -1.830837
H -3.843163 -2.009188 -0.144438
H 0.901600 -3.018336 -0.786334
H 1.250312 -2.279078 0.797350
H -0.553428 0.784556 -2.719716
H -2.033659 -0.181905 -2.912972
H -2.149432 1.568646 -2.603867
H 2.940369 -2.079394 -1.776820
H 3.398838 -2.976637 -0.311793
H 3.190866 1.570722 1.488092
H 3.122263 2.632061 0.061719
H 5.491638 2.432383 0.948166
H 5.354913 1.806279 -0.712252
H 5.263822 -1.870322 0.614799
H -5.707422 2.390498 -1.753339
H -4.058891 1.114635 3.498380
H -3.035260 -0.336332 3.629080
H -4.819511 -0.463381 3.888684


